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7K5M
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BU of 7k5m by Molmil
CRYSTAL STRUCTURE OF HBV CAPSID Y132A MUTANT IN COMPLEX WITH N-(3-chloro-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide AT 2.65A RESOLUTION
Descriptor: Capsid protein, ISOPROPYL ALCOHOL, N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
Authors:Kuduk, S.D, Stoops, B, Alexander, R, Lam, A.M, Espiritu, C, Vogel, R, Lau, V, Klumpp, K, Flores, O.A, Hartman, G.D, Lukacs, C.M, Abendroth, J.
Deposit date:2020-09-17
Release date:2021-07-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Identification of a new class of HBV capsid assembly modulator.
Bioorg.Med.Chem.Lett., 39, 2021
9BJM
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BU of 9bjm by Molmil
Crystal Structure of Inhibitor 5c in Complex with Prefusion RSV F Glycoprotein
Descriptor: 1'-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-1,3-benzimidazol-2-yl]methyl}-1-(methanesulfonyl)spiro[azetidine-3,3'-indol]-2'(1'H)-one, Prefusion RSV F (DS-CAV1),Envelope glycoprotein
Authors:Shaffer, P.L, Milligan, C, Abeywickrema, P.
Deposit date:2024-04-25
Release date:2024-07-10
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Spiro-Azetidine Oxindoles as Long-Acting Injectables for Pre-Exposure Prophylaxis against Respiratory Syncytial Virus Infections.
J.Med.Chem., 67, 2024
8GIH
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BU of 8gih by Molmil
Structure of Hepatitis B Virus Capsid Y132A mutant in complex with Compound 24
Descriptor: (6S,8R)-N-(3-bromo-4-fluorophenyl)-8-fluoro-10-methyl-11-oxo-1,3,4,7,8,9,10,11-octahydro-2H-pyrido[4',3':3,4]pyrazolo[1,5-a][1,4]diazepine-2-carboxamide, CHLORIDE ION, Capsid protein
Authors:Shaffer, P.L.
Deposit date:2023-03-14
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Diazepinone HBV capsid assembly modulators.
Bioorg Med Chem Lett, 72, 2022
6S5V
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BU of 6s5v by Molmil
Crystal structure of the Cap-Midlink region of the H5N1 Influenza A virus polymerase in complex with a Cap-domain binding analogue
Descriptor: (1~{S},2~{S},3~{S},6~{R})-2-[[2-[5,7-bis(fluoranyl)-1~{H}-indol-3-yl]-5-fluoranyl-pyrimidin-4-yl]amino]-3,6-dimethyl-cyclohexane-1-carboxylic acid, GLYCEROL, POTASSIUM ION, ...
Authors:Keown, J.R, Fodor, E, Grimes, J.M.
Deposit date:2019-07-02
Release date:2019-11-06
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Design, Synthesis, and Biological Evaluation of Novel Indoles Targeting the Influenza PB2 Cap Binding Region.
J.Med.Chem., 62, 2019
6CFG
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BU of 6cfg by Molmil
Crystal structure of the A/Vietnam/1203/2004 (H5N1) influenza virus hemagglutinin in complex with small molecule JNJ4796
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Kadam, R.U, Wilson, I.A.
Deposit date:2018-02-14
Release date:2019-02-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:A small-molecule fusion inhibitor of influenza virus is orally active in mice.
Science, 363, 2019
6CF7
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BU of 6cf7 by Molmil
Crystal structure of the A/Solomon Islands/3/2006(H1N1) influenza virus hemagglutinin in complex with small molecule JNJ4796
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Kadam, R.U, Wilson, I.A.
Deposit date:2018-02-13
Release date:2019-02-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.719 Å)
Cite:A small-molecule fusion inhibitor of influenza virus is orally active in mice.
Science, 363, 2019
5W6T
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BU of 5w6t by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP151070 (P7)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-PH8-ORN-MLE-GLU-TYR-ZCL-GLU-TRP-LEU-SER-9WV, ...
Authors:Wilson, I.A, Kadam, R.U.
Deposit date:2017-06-16
Release date:2017-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Potent peptidic fusion inhibitors of influenza virus.
Science, 358, 2017
5W6I
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BU of 5w6i by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP141046 (P3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-PH8-ORN-LEU-GLU-TYR-PHE-GLU-TRP-LEU-SER-BAL, ...
Authors:Wilson, I.A, Kadam, R.U.
Deposit date:2017-06-16
Release date:2017-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.104 Å)
Cite:Potent peptidic fusion inhibitors of influenza virus.
Science, 358, 2017
5W5S
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BU of 5w5s by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP141019 (P5)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-PH8-ORN-LEU-GLU-TYR-ZCL-GLU-TRP-LEU-SER-BAL, ...
Authors:Wilson, I.A, Kadam, R.U.
Deposit date:2017-06-15
Release date:2017-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.284 Å)
Cite:Potent peptidic fusion inhibitors of influenza virus.
Science, 358, 2017
5W6R
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BU of 5w6r by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP141099 (P6)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-PH8-ORN-LEU-GLU-TYR-PHE-GLU-TRP-LEU-SER-9WV, ...
Authors:Wilson, I.A, Kadam, R.U.
Deposit date:2017-06-16
Release date:2017-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.731 Å)
Cite:Potent peptidic fusion inhibitors of influenza virus.
Science, 358, 2017
5W6U
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BU of 5w6u by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP121068 (P2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-ARG-ORN-LEU-GLU-TYR-PHE-GLU-TRP-LEU-SER-BAL, ...
Authors:Wilson, I.A, Kadam, R.U.
Deposit date:2017-06-16
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.878 Å)
Cite:Potent peptidic fusion inhibitors of influenza virus.
Science, 358, 2017
5W5U
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BU of 5w5u by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP141037 (P4)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-PH8-ORN-MLE-GLU-TYR-PHE-GLU-TRP-LEU-SER-BAL, ...
Authors:Wilson, I.A, Kadam, R.U.
Deposit date:2017-06-15
Release date:2017-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.461 Å)
Cite:Potent peptidic fusion inhibitors of influenza virus.
Science, 358, 2017

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數據於2024-11-06公開中

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